UCSF

ZINC34926958

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 No

Popular Name: 4-Amino-6-(4-isopropylphenyl)-1,6-dihydro-1,3,5-triazine-2-thiol 4-Amino-6-(4-isopropylphenyl)-1,…

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CAS Numbers: , 1142207-94-0

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 7.76 -45.1 5 4 1 64 249.363 2 ↓
Ref Reference (pH 7) 2.55 7.66 -44.72 5 4 1 64 249.363 2 ↓
Mid Mid (pH 6-8) 2.68 7.42 -47.21 5 4 1 62 249.363 2 ↓
Mid Mid (pH 6-8) 2.68 7.48 -11.04 4 4 0 60 248.355 2 ↓
Mid Mid (pH 6-8) 2.68 7.48 -10.76 4 4 0 60 248.355 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )